1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide

C21H17ClN6O2 — CID 174652992

About 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide

1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide (PubChem CID 174652992) has the molecular formula C21H17ClN6O2 and a molecular weight of 420.86 g/mol. Its IUPAC name is 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide
• PubChem CID: 174652992
• Molecular Formula: C21H17ClN6O2
• Molecular Weight: 420.86 g/mol
• Exact Mass: 420.11
• IUPAC Name: 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide
• SMILES: C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)n1nc(-c2ccco2)cc1C(N)=O
• InChI: InChI=1S/C21H17ClN6O2/c1-13(28-19(21(24)29)10-18(26-28)20-3-2-8-30-20)12-27-7-6-17(25-27)14-4-5-15(11-23)16(22)9-14/h2-10,13H,12H2,1H3,(H2,24,29)/t13-/m0/s1
• InChIKey: GSXVUSXOFZLNEF-ZDUSSCGKSA-N
• XLogP: 3.89
• TPSA: 115.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.86
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide?

The IUPAC name of 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide (CID 174652992) is 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide.

What is the SMILES notation for 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide?

The canonical SMILES for 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide is C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)n1nc(-c2ccco2)cc1C(N)=O.

What is the InChIKey of 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide?

The InChIKey is GSXVUSXOFZLNEF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17ClN6O2/c1-13(28-19(21(24)29)10-18(26-28)20-3-2-8-30-20)12-27-7-6-17(25-27)14-4-5-15(11-23)16(22)9-14/h2-10,13H,12H2,1H3,(H2,24,29)/t13-/m0/s1.

What are the key properties of 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide?

1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide has a molecular weight of 420.86 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-3-(furan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 174652992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).